2-[1-(3-iodoprop-2-enyl)cyclohexyl]oxyoxane

C14H23IO2 — CID 54500562

IUPAC2-[1-(3-iodoprop-2-enyl)cyclohexyl]oxyoxane
SMILESIC=CCC1(OC2CCCCO2)CCCCC1
InChIInChI=1S/C14H23IO2/c15-11-6-10-14(8-3-1-4-9-14)17-13-7-2-5-12-16-13/h6,11,13H,1-5,7-10,12H2
InChIKeyYCCOIAAQOHUISO-UHFFFAOYSA-N
MW350.24 g/mol
LogP4.57
Rot. Bonds4

About 2-[1-(3-iodoprop-2-enyl)cyclohexyl]oxyoxane

2-[1-(3-iodoprop-2-enyl)cyclohexyl]oxyoxane (PubChem CID 54500562) has the molecular formula C14H23IO2 and a molecular weight of 350.24 g/mol. Its IUPAC name is 2-[1-(3-iodoprop-2-enyl)cyclohexyl]oxyoxane.

Molecular Properties

Compound Name2-[1-(3-iodoprop-2-enyl)cyclohexyl]oxyoxane
PubChem CID54500562
Molecular FormulaC14H23IO2
Molecular Weight350.24 g/mol
Exact Mass350.07
IUPAC Name2-[1-(3-iodoprop-2-enyl)cyclohexyl]oxyoxane
SMILESIC=CCC1(OC2CCCCO2)CCCCC1
InChIInChI=1S/C14H23IO2/c15-11-6-10-14(8-3-1-4-9-14)17-13-7-2-5-12-16-13/h6,11,13H,1-5,7-10,12H2
InChIKeyYCCOIAAQOHUISO-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-iodoprop-2-enyl)cyclohexyl]oxyoxane?
The IUPAC name of 2-[1-(3-iodoprop-2-enyl)cyclohexyl]oxyoxane (CID 54500562) is 2-[1-(3-iodoprop-2-enyl)cyclohexyl]oxyoxane.
What is the SMILES notation for 2-[1-(3-iodoprop-2-enyl)cyclohexyl]oxyoxane?
The canonical SMILES for 2-[1-(3-iodoprop-2-enyl)cyclohexyl]oxyoxane is IC=CCC1(OC2CCCCO2)CCCCC1.
What is the InChIKey of 2-[1-(3-iodoprop-2-enyl)cyclohexyl]oxyoxane?
The InChIKey is YCCOIAAQOHUISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IO2/c15-11-6-10-14(8-3-1-4-9-14)17-13-7-2-5-12-16-13/h6,11,13H,1-5,7-10,12H2.
What are the key properties of 2-[1-(3-iodoprop-2-enyl)cyclohexyl]oxyoxane?
2-[1-(3-iodoprop-2-enyl)cyclohexyl]oxyoxane has a molecular weight of 350.24 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-iodoprop-2-enyl)cyclohexyl]oxyoxane is sourced from PubChem (CID 54500562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).